1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one

Name: 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₃ClN₄O — CID 139617076

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one

SMILESO=c1cnc2ccccc2n1CCCN1CCN(c2ccc(Cl)cc2)CC1

InChIInChI=1S/C21H23ClN4O/c22-17-6-8-18(9-7-17)25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)23-16-21(26)27/h1-2,4-9,16H,3,10-15H2

InChIKeyVDZPTNGPNZUTCM-UHFFFAOYSA-N

MW382.90 g/mol

LogP3.26

Rot. Bonds5

About 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one (PubChem CID 139617076) has the molecular formula C₂₁H₂₃ClN₄O and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one.

Molecular Properties

Compound Name	1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
PubChem CID	139617076
Molecular Formula	C₂₁H₂₃ClN₄O
Molecular Weight	382.90 g/mol
Exact Mass	382.16
IUPAC Name	1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
SMILES	O=c1cnc2ccccc2n1CCCN1CCN(c2ccc(Cl)cc2)CC1
InChI	InChI=1S/C21H23ClN4O/c22-17-6-8-18(9-7-17)25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)23-16-21(26)27/h1-2,4-9,16H,3,10-15H2
InChIKey	VDZPTNGPNZUTCM-UHFFFAOYSA-N
XLogP	3.26
TPSA	41.37 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.90
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one?

The IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one (CID 139617076) is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one.

What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one?

The canonical SMILES for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CCCN1CCN(c2ccc(Cl)cc2)CC1.

What is the InChIKey of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one?

The InChIKey is VDZPTNGPNZUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-17-6-8-18(9-7-17)25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)23-16-21(26)27/h1-2,4-9,16H,3,10-15H2.

What are the key properties of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one?

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one has a molecular weight of 382.90 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one is sourced from PubChem (CID 139617076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 139617076 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.